Geometry & MOs

Info

ID:	74745
PubChem CID:	48422393
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-173.79
Dipole, Da:	3.35
IP(EA), eV:	-8.89(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COCC(=O)NC1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations